CID 14958329

Ethyl 2-{bicyclo[2.2.1]heptan-2-ylidene}acetate

Structural Information

Molecular Formula
C11H16O2
SMILES
CCOC(=O)/C=C/1\CC2CCC1C2
InChI
InChI=1S/C11H16O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h7-9H,2-6H2,1H3/b10-7+
InChIKey
XWKFXVNHWKJOMU-JXMROGBWSA-N
Compound name
ethyl (2E)-2-(2-bicyclo[2.2.1]heptanylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 144.3
[M+Na]+ 203.10426 150.6
[M-H]- 179.10776 146.8
[M+NH4]+ 198.14886 169.4
[M+K]+ 219.07820 148.6
[M+H-H2O]+ 163.11230 140.1
[M+HCOO]- 225.11324 164.7
[M+CH3COO]- 239.12889 180.5
[M+Na-2H]- 201.08971 145.7
[M]+ 180.11449 143.8
[M]- 180.11559 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe